4-(4-methylphenyl)isochromen-1-one

Systemtic Name: 4-(4-methylphenyl)isochromen-1-one Openeye Name: 4-(p-tolyl)isochromen-1-one CAS Name: 4-(4-methylphenyl)-2-benzopyran-1-one IUPAC Name: 4-(4-methylphenyl)isochromen-1-one Traditional Name: 4-(p-tolyl)isocoumarin Formula: C16H12O2 MolecularWeight: 236.26528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=COC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C2=COC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)15-10-18-16(17)14-5-3-2-4-13(14)15/h2-10H,1H3